Wed May 08 12:28:27.784 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:28:27.800 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_85\1\pdata\1
Wed May 08 12:28:27.815 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:28:27.831 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:28:27.846 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:28:27.894 CEST 2019: No HSQC data available
Wed May 08 12:28:27.957 CEST 2019: No C13 data available
Wed May 08 12:28:28.004 CEST 2019: No HMBC data available
Wed May 08 12:28:28.029 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:28:28.076 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 12:28:28.734 CEST 2019: Structure is used: true
Wed May 08 12:28:28.750 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_85/1/H01.mol
Wed May 08 12:28:28.750 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.66 s.
Wed May 08 12:28:28.792 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 12:28:28.808 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:28:28.808 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:28:28.823 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:28:28.823 CEST 2019: Spectrum is suppressed.
Wed May 08 12:28:28.839 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:28:28.854 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:28:28.854 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:28:28.870 CEST 2019: Expected impurity: TSP
Wed May 08 12:28:28.886 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:28:28.886 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp1, protonShiftLimitAPpm=2.4, protonShiftLimitBPpm=2.5, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Wed May 08 12:28:28.901 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp2, protonShiftLimitAPpm=2.7, protonShiftLimitBPpm=2.76, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Wed May 08 12:28:28.901 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 12:28:28.917 CEST 2019: RMSD noise: 689.445 (10.098/9.598)
Wed May 08 12:28:28.933 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:28:28.933 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:28:28.949 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:28:29.000 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 12:28:29.388 CEST 2019: Number of Peaks: (112, 9)
Wed May 08 12:28:29.404 CEST 2019: Elapsed time for evaluation (PP Suite): 0.41 s.
Wed May 08 12:28:29.419 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:28:29.435 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:28:29.435 CEST 2019: Signal-to-Noise ratio: 198.31 (1.224 ppm)
Wed May 08 12:28:29.451 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:28:29.466 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:28:29.466 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.71 s.
Wed May 08 12:28:29.747 CEST 2019: Number of Multiplets: 215
Wed May 08 12:28:29.763 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.28 s.
Wed May 08 12:28:29.919 CEST 2019: Number of Peak Cluster: 15
Wed May 08 12:28:29.935 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.16 s.
Wed May 08 12:28:30.122 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.19 s.
Wed May 08 12:28:31.061 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.93 s.
Wed May 08 12:28:31.107 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 12:28:31.122 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 12:28:31.154 CEST 2019: Number of consistent PNS: 5
Wed May 08 12:28:31.169 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.04 s.
Wed May 08 12:28:31.217 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.04 s.
Wed May 08 12:29:06.859 CEST 2019: Number of ASL: 1005
Wed May 08 12:29:06.875 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 35.65 s.
Wed May 08 12:29:07.501 CEST 2019: Elapsed time for evaluation (IN Suite): 0.61 s.
Wed May 08 12:29:11.439 CEST 2019: Elapsed time for evaluation (BU Suite): 3.93 s.
Wed May 08 12:29:11.483 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 12:29:11.483 CEST 2019: INCONSISTENT: Only invalid AssignmentSolutions.
Wed May 08 12:29:12.312 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.86 s.
Wed May 08 12:29:12.312 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:29:12.328 CEST 2019: CMC-q finished in 44.54 s.
